# generated using pymatgen
data_FeCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87116441
_cell_length_b   10.86653610
_cell_length_c   10.86997360
_cell_angle_alpha   89.21648119
_cell_angle_beta   89.01980185
_cell_angle_gamma   63.75259616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoNiH8C14(NO)6
_chemical_formula_sum   'Fe2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1151.49637436
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Co  Co0  1  0.90235378  0.09619321  0.24743868  1
  Co  Co1  1  0.09764825  0.90380643  0.75255991  1
  Ni  Ni2  1  0.85935401  0.98379641  -0.00555924  1
  Fe  Fe3  1  0.00513807  0.14355230  0.50360459  1
  Ni  Ni4  1  0.14064743  0.01620246  1.00555800  1
  Fe  Fe5  1  0.99485815  0.85645330  0.49639602  1
  H  H6  1  0.53760775  0.16786450  0.41197376  1
  H  H7  1  0.83076693  0.46266202  0.08612177  1
  H  H8  1  0.46239333  0.83212495  0.58803169  1
  H  H9  1  0.16923754  0.53733815  0.91387490  1
  H  H10  1  0.33265048  0.15541228  0.50910496  1
  H  H11  1  0.84129291  0.66772722  0.98732571  1
  H  H12  1  0.66734748  0.84458586  0.49089688  1
  H  H13  1  0.15871531  0.33227178  0.01267248  1
  H  H14  1  0.42654725  0.07584843  0.05541030  1
  H  H15  1  0.92870436  0.57523691  0.44006746  1
  H  H16  1  0.57345229  0.92414701  0.94459149  1
  H  H17  1  0.07128739  0.42476957  0.55993292  1
  H  H18  1  0.87475073  0.20856876  0.04208475  1
  H  H19  1  0.78327673  0.11935468  0.45252366  1
  H  H20  1  0.12524947  0.79143233  0.95791281  1
  H  H21  1  0.21672106  0.88064940  0.54747083  1
  C  C22  1  0.62744759  0.11669699  0.17386038  1
  C  C23  1  0.88360782  0.37497016  0.32453837  1
  C  C24  1  0.37255537  0.88329536  0.82614270  1
  C  C25  1  0.11638834  0.62503463  0.67545986  1
  C  C26  1  0.49883652  0.11686396  0.22836597  1
  C  C27  1  0.88291884  0.50266652  0.26859548  1
  C  C28  1  0.50116573  0.88312806  0.77163725  1
  C  C29  1  0.11707906  0.49733823  0.73140310  1
  C  C30  1  0.46953458  0.14289736  0.35582034  1
  C  C31  1  0.85564651  0.53170409  0.14132020  1
  C  C32  1  0.53046704  0.85709478  0.64418255  1
  C  C33  1  0.14435601  0.46829782  0.85867764  1
  C  C34  1  0.35568190  0.13708599  0.41119375  1
  C  C35  1  0.86042272  0.64570624  0.08508498  1
  C  C36  1  0.64431700  0.86290999  0.58880784  1
  C  C37  1  0.13958287  0.35429414  0.91491313  1
  C  C38  1  0.27033795  0.10585291  0.33611539  1
  C  C39  1  0.89217421  0.73205614  0.15864187  1
  C  C40  1  0.72965970  0.89414580  0.66388523  1
  C  C41  1  0.10783082  0.26794391  0.84135667  1
  C  C42  1  0.29609331  0.08328171  0.20930139  1
  C  C43  1  0.91683970  0.70481289  0.28478568  1
  C  C44  1  0.70390717  0.91671515  0.79070050  1
  C  C45  1  0.08315975  0.29519058  0.71521341  1
  C  C46  1  0.40963315  0.09047204  0.15384301  1
  C  C47  1  0.91100756  0.59178580  0.34188371  1
  C  C48  1  0.59036946  0.90952255  0.84615957  1
  C  C49  1  0.08898779  0.40821998  0.65811594  1
  N  N50  1  0.15637754  0.08632686  0.36304119  1
  N  N51  1  0.91239074  0.84621294  0.13254724  1
  N  N52  1  0.84361525  0.91367933  0.63695666  1
  N  N53  1  0.08761751  0.15378468  0.86745030  1
  N  N54  1  0.11642810  0.04869735  0.26039349  1
  N  N55  1  0.95168566  0.88460991  0.23451212  1
  N  N56  1  0.88356310  0.95131309  0.73960356  1
  N  N57  1  0.04831919  0.11538932  0.76548781  1
  N  N58  1  0.19465859  0.05191229  0.16562387  1
  N  N59  1  0.95105470  0.80383433  0.32865047  1
  N  N60  1  0.80533954  0.94808927  0.83437496  1
  N  N61  1  0.04894413  0.19616796  0.67135012  1
  O  O62  1  0.92774326  0.11171287  0.06207592  1
  O  O63  1  0.88161059  0.06864556  0.43835762  1
  O  O64  1  0.07225700  0.88828742  0.93792105  1
  O  O65  1  0.11838804  0.93135835  0.56164334  1
  O  O66  1  0.69720046  0.14962401  0.24785472  1
  O  O67  1  0.85012226  0.30345888  0.25345239  1
  O  O68  1  0.30280341  0.85036811  0.75214897  1
  O  O69  1  0.14987435  0.69654426  0.74654702  1
  O  O70  1  0.65666310  0.08290022  0.06147860  1
  O  O71  1  0.91944056  0.34723802  0.43679566  1
  O  O72  1  0.34333940  0.91709093  0.93852433  1
  O  O73  1  0.08055478  0.65276514  0.56320276  1
